Vitas-M small molecule compound
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3,4,5-trimethoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Catalog ID
STL112516
SMILES COc1c(OC)cc(cc1OC)C1Oc2ccccc2C2N1N=C(C2)c1ccc2c(c1)OCCO2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C27H26N2O6 MW 474.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O6/c1-30-24-13-17(14-25(31-2)26(24)32-3)27-29-20(18-6-4-5-7-21(18)35-27)15-19(28-29)16-8-9-22-23(12-16)34-11-10-33-22/h4-9,12-14,20,27H,10-11,15H2,1-3H3InChIKey
LMLFUBKLZBKLLE-UHFFFAOYSA-NSynonyms
2(23dihydro14benzodioxin6yl)5(345trimethoxyphenyl)110bdihydropyrazolo(15c)(13)benzoxazine
2(23DIHYDRO14BENZODIOXIN6YL)5(345TRIMETHOXYPHENYL)510BDIHYDRO1HPYRAZOLO(15C)(13)BENZOXAZINE
COC1=CC(=CC(=C1OC)OC)C2N3C(CC(=N3)C4=CC5=C(C=C4)OCCO5)C6=CC=CC=C6O2
InChI=1SC27H26N2O6c130241317(1425(312)26(24)323)272920(18645721(18)3527)1519(2829)16892223(1216)3411103322h4912142027H101115H213H3
MFCD03150242
ZINC000012500555
ZINC000012500567
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